[3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] 2-methoxybenzoate

Formula:C22H21NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] 2-methoxybenzoate is a drug-like molecule.

MolName	[3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] 2-methoxybenzoate
MolecularFormula	C22H21NO5
Smiles	COc(cccc1)c1C(Oc1cccc(N(C([C@H]2[C@@H]3CCCC2)=O)C3=O)c1)=O
InChI	InChI=1S/C22H21NO5/c1-27-19-12-5-4-11-18(19)22(26)28-15-8-6-7-14(13-15)23-20(24)16-9-2-3-10-17(16)21(23)25/h4-8,11-13,16-17H,2-3,9-10H2,1H3/t16-,17-/m0/s1
InChIK	MXOHBYVLFGGLKK-IRXDYDNUSA-N
TotalMolweight	379.411
Molweight	379.411
MonoisotopicMass	379.141974
CLogP	3.3081
CLogS	-4.736
H Acceptors	6
TotalSurfaceArea	281.87
Relative PSA	0.22234
PolarSurfaceArea	72.91
Druglikeness	-2.516
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	2
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Amides	1
StereoCon	meso

Click to Load Molecule:

1 - [3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] 2-methoxybenzoate | 2 - [3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] 2-methoxybenzoate

Request More Details | [3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] 2-methoxybenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments